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Exciton weight in Yambo-Py

Posted: Mon Jun 02, 2025 6:19 pm
by javad
Dear Yambo developers

I have a question on YamboPy.

In the tutorial on exciton analysis,
https://wiki.yambo-code.eu/wiki/index.p ... ocal_space

it shown how to plot excitonic weight on the band structure and in the full BZ.
My question is, what exactly is plotted?

For the full BZ I guess:

A_k = \sum_{cv} | A_{cv k} |

and for the band structure

A_{c/v, k} = \sum_{v/c} | A_{cv k} |

is it correct? or it is the sum of the | |^2 ?

best regards
javad

Re: Exciton weight in Yambo-Py

Posted: Tue Jun 03, 2025 7:57 am
by Daniele Varsano
Dear Javad,

I'm not an expert on yambo-py, anyway the weights are |Acvk|^2.

Best,

Daniele

Re: Exciton weight in Yambo-Py

Posted: Thu Jun 05, 2025 9:30 am
by palful
Dear Javad,

I confirm that it's the square of the weights which is used. This maintains gauge invariance in the case of summing over degenerate exciton states.

Keep in mind that beside the example provided in the tutorial script, you can also construct your own python script to plot exactly the quantities that you want, once read from the yambo databases (via YamboLatticeDB or YamboExcitonDB for example).

Cheers,
Fulvio